[1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol

Systemtic Name: [1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol Openeye Name: [1,3]dioxolo[4,5-g]isoquinoline; picric acid CAS Name: [1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol IUPAC Name: [1,3]dioxolo[4,5-g]isoquinoline; 2,4,6-trinitrophenol Traditional Name: [1,3]dioxol[4,5-g]isoquinoline; picric acid Formula: C16H10N4O9 MolecularWeight: 402.272

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C=NC=CC3=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C3C=NC=CC3=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H7NO2.C6H3N3O7/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5H,6H2;1-2,10H